| CAS Number | 851818-22-9 |
| Catalog Number | AG019U85 |
| Chemical Name | 3-Cyano-N-[(4-methylphenyl)methyl]benzamide |
| IUPAC Name | 3-cyano-N-[(4-methylphenyl)methyl]benzamide |
| InChI | InChI=1S/C16H14N2O/c1-12-5-7-13(8-6-12)11-18-16(19)15-4-2-3-14(9-15)10-17/h2-9H,11H2,1H3,(H,18,19) |
| InChI Key | SYBORSXGOIGTII-UHFFFAOYSA-N |
| MDL Number | MFCD06386854 |
| Molecular Formula | C16H14N2O |
| Molecular Weight | 250.2952 |
| SMILES | CC1=CC=C(CNC(C2=CC(C#N)=CC=C2)=O)C=C1 |
| Synonyms | 3-cyano-N-[(4-methylphenyl)methyl]benzamide,
3-cyano-N-(4-methylbenzyl)benzamide,
851818-22-9,
EN300-40867,
AC1M8ZPJ,
AC1Q2M03,
CTK7C8407,
ZINC3405288,
STL189575,
AKOS000197887,
MCULE-8179659905,
NE13266,
Z28428115,
ZINC03405288,
CID2524048,
|
| Complexity | 349 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.301g/mol |
| Monoisotopic Mass | 250.111g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number